[(4S,4aR)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)azanium

Systemtic Name: [(4S,4aR)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)azanium Openeye Name: [(4S,4aR)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)ammonium CAS Name: [(4S,4aR)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)ammonium IUPAC Name: [(4S,4aR)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)azanium Traditional Name: [(4S,4aR)-4-(2-chlorophenyl)-5-keto-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-2-yl]-(3H-1,3-benzoxazol-2-ylidene)ammonium Formula: C23H22ClN4O2+ MolecularWeight: 421.89938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N=C(NC2=C1)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=CC=C5Cl)C

Isomeric SMILES

CC1(CC(=O)[C@@H]2[C@H](N=C(NC2=C1)[NH+]=C3NC4=CC=CC=C4O3)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C23H21ClN4O2/c1-23(2)11-16-19(17(29)12-23)20(13-7-3-4-8-14(13)24)27-21(25-16)28-22-26-15-9-5-6-10-18(15)30-22/h3-11,19-20H,12H2,1-2H3,(H2,25,26,27,28)/p+1/t19-,20-/m1/s1